| CAS Number | 915921-98-1 |
| Catalog Number | AG00GTS3(AGN-PC-0WB3S2) |
| Chemical Name | (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid |
| IUPAC Name | 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid |
| InChI | InChI=1S/C10H9ClO4/c11-7-5-9-8(14-1-2-15-9)3-6(7)4-10(12)13/h3,5H,1-2,4H2,(H,12,13) |
| InChI Key | LGLSIVKEHGQKRR-UHFFFAOYSA-N |
| MDL Number | MFCD08691685 |
| Molecular Formula | C10H9ClO4 |
| Molecular Weight | 228.6291 |
| SMILES | C1(CC(O)=O)=CC2OCCOC=2C=C1Cl |
| Synonyms | 915921-98-1,
(7-CHLORO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACETIC ACID,
CHEMBRDG-BB 4024336,
SCHEMBL18301791,
CTK5H0010,
DTXSID50650933,
2-(7-Chloro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetic acid,
ZX-CM005382,
MFCD08691685,
ZINC19091264,
AKOS006341654,
AJ-71575,
Y-4351,
2-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.628g/mol |
| Monoisotopic Mass | 228.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number